Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PLG | P00747 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13548412 | 1.00 | ALDH1A1 (0.70) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL4607814 | 0.88 | ALDH1A1 (0.70) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL9769443 | 0.85 | ALDH1A1 (0.66) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL671759 | 0.83 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL29954469 | 0.83 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL9023421 | 0.81 | ALDH1A1 (0.60) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 | |
| SCHEMBL29951517 | 0.80 | IMPDH2 (0.61) | ALDH1A1MAPTKDM4ECYP2A6IMPDH2 | |
| SCHEMBL1418239 | 0.80 | IMPDH2 (0.61) | ALDH1A1MAPTKDM4ECYP2A6IMPDH2 | |
| SCHEMBL8291070 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EHSD17B10ESR2 | |
| SCHEMBL8257892 | 0.77 | CYP1A2 (0.67) | ALDH1A1MAPTKDM4ECYP2A6CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |